(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide

C15H15NO2 — CID 8856139

IUPAC(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C15H15NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-12H,1H3,(H,16,17)/b10-9+/t12-/m1/s1
InChIKeyGACSFFAXLIWXTA-BZYZDCJZSA-N
MW241.29 g/mol
LogP3.17
Rot. Bonds4

About (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 8856139) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID8856139
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C15H15NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-12H,1H3,(H,16,17)/b10-9+/t12-/m1/s1
InChIKeyGACSFFAXLIWXTA-BZYZDCJZSA-N
XLogP3.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[[(1S)-1-(furan-2-yl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81408440
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481779
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9482231
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
CID 59752804
N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
CID 171148172
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
(2R)-3-methyl-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79011095
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide (CID 8856139) is (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccco1.
What is the InChIKey of (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is GACSFFAXLIWXTA-BZYZDCJZSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-12H,1H3,(H,16,17)/b10-9+/t12-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 8856139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).